Gramatica, P.; Giani, E.; Papa, E. Statistical external validation and consensus modeling: A QSPR case study for Koc prediction. J. Mol. Graph. Model. 2007, 25, 6, 755–766.

Compound

	ID:	490
	Name:	3'-Chloro-4'-methoxyacetanilide
	Description:
	Labels:	Validation
	CAS:	7073-42-9
	InChi Code:	InChI=1/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)/f/h11H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2	experimental value
2.19	Eq1: Best externally predictive model (Validation set)
2.28	Eq2: Full model, including all data (Training set)
1.93	Tab2-9: Correlation with logKow (Validation set)
2.07	Tab2-10: Correlation with logSw (Validation set)
2.01	Tab2-11: logKow and aromaticity (Validation set)
2.13	Tab2-12: logSw and aromaticity (Validation set)